acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine

C14H33N3O11 — CID 158884370

IUPACacetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCNCCNO
InChIInChI=1S/C4H13N3O.5C2H4O2/c5-1-2-6-3-4-7-8;5*1-2(3)4/h6-8H,1-5H2;5*1H3,(H,3,4)
InChIKeyJDKUHHSKEYLKSL-UHFFFAOYSA-N
MW419.43 g/mol
LogP-1.03
Rot. Bonds5

About acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine

acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine (PubChem CID 158884370) has the molecular formula C14H33N3O11 and a molecular weight of 419.43 g/mol. Its IUPAC name is acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine.

Molecular Properties

Compound Nameacetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine
PubChem CID158884370
Molecular FormulaC14H33N3O11
Molecular Weight419.43 g/mol
Exact Mass419.21
IUPAC Nameacetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCNCCNO
InChIInChI=1S/C4H13N3O.5C2H4O2/c5-1-2-6-3-4-7-8;5*1-2(3)4/h6-8H,1-5H2;5*1H3,(H,3,4)
InChIKeyJDKUHHSKEYLKSL-UHFFFAOYSA-N
XLogP-1.03
TPSA256.81 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.43
LogP ≤ 5-1.03
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;azane;dihydrate
CID 173303961
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;iron(3+);triacetate
CID 172701648
acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 22253788
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
acetic acid;2-(2-aminoethylamino)ethanol
CID 87485806
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;gadolinium(3+);triacetate
CID 158309087
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
CID 158173045
CID 173081890
CID 173081890
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;tetrakis(decane)
CID 173077422
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine?
The IUPAC name of acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine (CID 158884370) is acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine.
What is the SMILES notation for acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine?
The canonical SMILES for acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCNCCNO.
What is the InChIKey of acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine?
The InChIKey is JDKUHHSKEYLKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3O.5C2H4O2/c5-1-2-6-3-4-7-8;5*1-2(3)4/h6-8H,1-5H2;5*1H3,(H,3,4).
What are the key properties of acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine?
acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine has a molecular weight of 419.43 g/mol, XLogP of -1.03, 5 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine is sourced from PubChem (CID 158884370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).